0 B13R1.45 C(=C/C(=O)C1=CC=CC=C1)\C(=O)O R152099 [0,0,0,0,0,0|4,0,0]=4 1 B13R1.45 CC(=NNC(=O)C1=CC=NC=C1)C S420018 [0,0,0,0,0,0|1,0,0]=1 2 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 PH010963 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.45 CC(=O)NNC(=O)C1=CC=CC=C1 S669970 [0,0,0,0,0,0|1,0,2]=3 4 B13R1.45 CC(=O)NNC(=O)C1=CC=CC=N1 R160326 [0,0,0,0,0,0|2,0,2]=4 5 B13R1.45 CC(=O)NNC(=O)C1=CC=NC=C1 PH007103 [0,0,0,0,0,0|0,0,2]=2 6 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 T291145 [0,0,0,0,0,0|3,0,1]=4 7 B13R1.45 CC(C)CNC(=O)C1=CC=CC=C1 R531251 [0,0,0,0,0,0|3,0,1]=4 8 B13R1.45 CN(C)/C=C/C(=O)C1=CC=NC=C1 CBR02130 [0,0,0,0,0,0|4,0,0]=4 9 B13R1.45 CN(C)CNC(=O)C1=CC=CC=C1 PH008934 [0,0,0,0,0,0|4,0,0]=4 10 B13R1.45 NC(=O)CNC(=O)C1=CC=CC=C1 R549444 [0,0,0,0,0,0|3,0,1]=4 11 B13R1.45 NC(=S)CNC(=O)C1=CC=CC=C1 PH010689 [0,0,0,0,0,0|3,1,0]=4 12 B13R1.45 NC(=S)NNC(=O)C1=CC=CC=C1 S511862 [0,0,0,0,0,0|2,1,1]=4 13 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 S39102 [0,0,0,0,0,0|4,0,0]=4 14 B12R1.30 C=CCNC(=O)C1=CC=CC=C1 S884553 [1,0,0,0,0,0|2,0,1]=4 15 B12R1.30 C=CCNC(=O)C1=CC=NC=C1 T322911 [1,0,0,0,0,0|1,0,1]=3 16 B12R1.30 CCCNC(=O)C1=CC=CC=C1 S779121 [1,0,0,0,0,0|2,0,1]=4 17 B12R1.30 O=C(NCCO)C1=CC=CC=C1 EME00384 [1,0,0,0,0,0|2,0,1]=4 18 B14R1.149 O=C(O)CNC(=O)C1=CC(=CC=C1)Cl R537748 [0,1,0,0,0,0|3,0,0]=4 19 B14R1.160 CC(=NNC(=O)C1=CC=CC=C1N)C S184764 [0,1,0,0,0,0|2,0,0]=3 20 B14R1.160 CC(=O)NNC(=O)C1=CC=CC=C1N R590290 [0,1,0,0,0,0|1,0,2]=4 21 B14R1.160 NC1=C(C=CC=C1)C(=O)NCC(=O)O PH010483 [0,1,0,0,0,0|3,0,0]=4 22 B14R1.160 O=C(O)CNC(=O)C1=CC=CC=C1Cl S676950 [0,1,0,0,0,0|3,0,0]=4 23 B14R1.163 CCC(C)NNC(=O)C1=CC=NC=C1 PH007757 [0,1,0,0,0,0|1,0,2]=4 24 B14R1.163 CNC(=S)NNC(=O)C1=CC=CC=C1 S869473 [0,1,0,0,0,0|1,1,1]=4 25 B14R1.163 COC(=O)CNC(=O)C1=CC=CC=C1 S750115 [0,1,0,0,0,0|2,0,1]=4 26 B14R1.163 CSC(=S)NNC(=O)C1=CC=CC=C1 PH007645 [0,1,0,0,0,0|1,1,1]=4 27 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O S560014 [0,1,0,0,0,0|3,0,0]=4 28 B14R1.415 O=C(O)C(=O)CC(=O)C1=CC=NC=C1 CDS009563 [0,1,0,0,0,0|3,0,0]=4 29 B14R1.415 [C@H](C)(NC(=O)C1=CC=CC=C1)C(=O)O S451797 [0,1,0,0,0,0|3,0,0]=4 30 B14R1.415 [C@H](C)(NC(=O)C1=CC=CC=C1)C(=O)O S455067 [0,1,0,0,0,0|3,0,0]=4 31 B14R1.417 CN(CC(=O)O)C(=O)C1=CC=CC=C1 S117668 [0,1,0,0,0,0|3,0,0]=4 32 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)Br R169889 [0,1,0,0,0,0|3,0,0]=4 33 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)Cl S658049 [0,1,0,0,0,0|3,0,0]=4 34 B14R1.813 CC(=NNS(=O)(=O)C1=CC=CC=C1)C S870544 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.54 O=C(O)CNC(=O)C1=CC=CS1 R648248 [0,0,0,0,1,0|3,0,0]=4 36 B12R1.107 N=C(N)NC(=O)C1=CC=CC=C1 S862614 [0,0,0,0,1,0|3,0,0]=4 37 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 S450545 [0,0,0,0,1,0|2,0,1]=4 38 B14R1.420 O=C(O)CONC(=O)C1=CC=CC=C1 S388793 [0,0,0,0,0,1|3,0,0]=4 39 B14R1.423 CC(=NOC(=O)NC1=CC=CC=C1)C S580309 [0,0,0,0,0,1|3,0,0]=4 40 B14R1.423 CC(=O)NNC(=O)CC1=CC=CC=C1 S669989 [0,0,0,0,0,1|1,0,2]=4 41 B14R1.423 CC(O)CNC(=O)NC1=CC=CC=C1 S609374 [0,0,0,0,0,1|2,0,1]=4 42 B11R1.16 CCNC(=O)C1=CC=CC=C1 S681059 [2,0,0,0,0,0|1,0,1]=4 43 B11R1.16 O=C(NCO)C1=CC=CC=C1 S403466 [2,0,0,0,0,0|1,0,1]=4 44 B13R1.132 CC(=O)NC(=O)C1=CC=C(C=C1)Cl PH009070 [0,1,0,0,1,0|1,0,1]=4 45 B15R1.500 CC(=O)C(=NNC(=O)C1=CC=NC=C1)C S420484 [0,1,0,0,0,1|0,0,1]=3 46 B15R1.89 COCC(C)NNC(=O)C1=CC=NC=C1 PH007759 [0,2,0,0,0,0|0,0,2]=4 47 B13R2.10 CC1=NNC(=C1)C2=CC=CC=C2 L496162 [1,0,0,1,0,0|2,0,0]=4 48 B13R2.371 CC1=NNC(=O)C2=CC=CC=C12 S246468 [1,0,0,1,0,0|1,0,0]=3 49 B13R2.371 O=C1NN=C(C2=C1C=CC=C2)Cl T160946 [1,0,0,1,0,0|2,0,0]=4 50 B13R2.371 O=C1NN=C(C2=C1C=CC=C2)[O-] S849197 [1,0,0,1,0,0|1,0,1]=4 51 B11R1.91 CC(=NOC1=CC=NC=C1)C T160091 [1,0,0,0,1,0|2,0,0]=4 52 B11R1.91 CC(=NOC1=CC=NC=C1)C T161659 [1,0,0,0,1,0|2,0,0]=4 53 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 S786993 [1,0,0,0,1,0|2,0,0]=4